CID 48928

67031-68-9

Structural Information

Molecular Formula
C20H23NO2
SMILES
C1CCN(CC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey
ARFDWWNAZVZZBC-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.180156 175.1
[M+Na]+ 332.162098 176.7
[M-H]- 308.165604 181.3
[M+NH4]+ 327.206703 186.7
[M+K]+ 348.136038 172.6
[M+H-H2O]+ 292.170140 164.5
[M+HCOO]- 354.171081 191.5
[M+CH3COO]- 368.186731 203.9
[M+Na-2H]- 330.147546 176.9
[M]+ 309.17233142 170.3
[M]- 309.17342858 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.